From h8714031@hkuxa.hku.hk  Thu Mar 18 20:22:56 1993
From: h8714031@hkuxa.hku.hk (Mok Kam Wah)
Message-Id: <9303190115.AA07514@hkuxb.hku.hk>
Subject: About ROHF coupling oefficient
To: chemistry@ccl.net (Computational Chemistry)
Date: Fri, 19 Mar 93 9:15:22 WST


Dear Netters,

     I am doing some Ab initio calculation on Transition metal compounds. Which
coupling coefficients should I used so that ROHF converge? I am now working on 
a heptet ground state and using Roothaan single matrix set of coefficient. It 
does not onverge, any suggestion?

Thanks in advance !!!

K.W.Mok
Email:h8714031@hkuxa.hku.hk

Chem.Dept. University of Hong Kong